Cas no 148014-06-6 (3-Isoxazolecarbonitrile,5-(1,1-dimethylethyl)-)
148014-06-6 structure
Product Name:3-Isoxazolecarbonitrile,5-(1,1-dimethylethyl)-
CAS No:148014-06-6
MF:C8H10N2O
MW:150.177801609039
CID:100600
PubChem ID:45099001
Update Time:2025-04-18
3-Isoxazolecarbonitrile,5-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarbonitrile,5-(1,1-dimethylethyl)-
- 3-Isoxazolecarbonitrile,5-(1,1-dimethylethyl)-(9CI)
- CS-0377268
- 148014-06-6
- 5-(tert-Butyl)isoxazole-3-carbonitrile
-
- Inchi： 1S/C8H10N2O/c1-8(2,3)7-4-6(5-9)10-11-7/h4H,1-3H3
- InChI Key： OCCLOARPNRWLBL-UHFFFAOYSA-N
- SMILES： O1C(=CC(C#N)=N1)C(C)(C)C
Computed Properties
- Exact Mass: 150.0794
- Monoisotopic Mass: 150.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- PSA: 49.82
3-Isoxazolecarbonitrile,5-(1,1-dimethylethyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM505777-1g |
5-(tert-Butyl)isoxazole-3-carbonitrile |
148014-06-6 | 97% | 1g |
$527 | 2023-01-07 |
3-Isoxazolecarbonitrile,5-(1,1-dimethylethyl)- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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